==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ANTIBIOTIC 24-MAY-13 4KWI . COMPND 2 MOLECULE: REDUCTASE HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CYANOGENUS; . AUTHOR P.PAANANEN,P.PATRIKAINEN,P.MANTSALA,J.NIEMI,L.NIIRANEN,M.MET . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 1 0 2 4 2 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A G > 0 0 74 0, 0.0 3,-1.7 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 168.6 -29.1 -19.1 -20.8 2 3 A N T 3 + 0 0 100 1,-0.3 231,-0.3 3,-0.0 27,-0.1 0.478 360.0 56.3 -68.4 -2.3 -26.2 -17.7 -18.7 3 4 A L T > S+ 0 0 4 25,-2.4 3,-2.0 22,-0.1 -1,-0.3 0.125 72.6 140.1-113.0 17.9 -28.0 -14.3 -18.5 4 5 A T T < S+ 0 0 100 -3,-1.7 26,-0.2 24,-0.3 3,-0.1 -0.400 72.1 22.3 -64.1 136.9 -31.3 -15.6 -17.0 5 6 A G T 3 S+ 0 0 73 24,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.371 103.0 117.8 85.2 -3.0 -32.6 -13.2 -14.3 6 7 A K < - 0 0 69 -3,-2.0 25,-2.6 23,-0.2 2,-0.3 -0.578 52.2-145.9 -99.0 159.7 -30.6 -10.3 -15.8 7 8 A T E -a 31 0A 7 23,-0.2 85,-2.0 -2,-0.2 2,-0.3 -0.910 16.3-170.6-123.3 151.9 -31.6 -7.0 -17.3 8 9 A A E -ab 32 92A 0 23,-2.3 25,-3.1 -2,-0.3 2,-0.5 -0.999 18.5-157.8-148.4 135.0 -30.0 -5.1 -20.1 9 10 A L E -ab 33 93A 0 83,-2.6 85,-3.0 -2,-0.3 2,-0.5 -0.985 12.6-175.6-110.6 125.0 -30.1 -1.7 -21.9 10 11 A V E > -ab 34 94A 0 23,-2.0 25,-2.0 -2,-0.5 3,-0.5 -0.976 16.5-147.7-116.1 111.0 -28.7 -1.7 -25.5 11 12 A T T 3 S+ 0 0 1 83,-2.4 85,-0.1 -2,-0.5 25,-0.1 -0.497 81.5 19.4 -77.7 150.9 -28.7 1.8 -26.9 12 13 A G T 3 S+ 0 0 17 84,-0.2 6,-0.4 -2,-0.1 3,-0.4 0.929 79.6 147.5 56.0 50.2 -29.3 2.1 -30.7 13 14 A A < + 0 0 0 22,-2.4 23,-0.2 -3,-0.5 10,-0.1 0.343 41.4 89.5 -98.5 3.8 -30.8 -1.4 -30.8 14 15 A S S S- 0 0 12 21,-0.6 2,-0.3 32,-0.1 -1,-0.2 0.696 100.6 -3.0 -75.3 -21.6 -33.3 -0.7 -33.7 15 16 A R S >> S+ 0 0 138 -3,-0.4 4,-1.5 28,-0.0 3,-0.6 -0.915 105.6 12.6-155.2 176.1 -30.8 -1.7 -36.4 16 17 A G H 3> S- 0 0 15 178,-0.7 4,-1.5 -2,-0.3 3,-0.2 -0.059 118.3 -9.1 55.5-137.9 -27.2 -2.8 -37.2 17 18 A I H 3> S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 134.5 56.2 -63.2 -40.1 -24.8 -4.0 -34.4 18 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -1,-0.2 0.841 105.7 52.6 -63.0 -35.9 -27.2 -2.9 -31.6 19 20 A R H X S+ 0 0 76 -4,-1.5 4,-2.8 -7,-0.2 -1,-0.2 0.913 110.7 46.5 -62.8 -46.7 -29.9 -5.1 -33.1 20 21 A A H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.907 112.6 50.7 -65.4 -42.0 -27.6 -8.1 -33.1 21 22 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.952 112.5 45.7 -57.7 -54.1 -26.4 -7.4 -29.6 22 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.918 113.4 49.9 -57.7 -46.8 -30.0 -7.1 -28.3 23 24 A E H X S+ 0 0 63 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.852 114.3 45.1 -59.8 -37.7 -31.0 -10.3 -30.2 24 25 A K H X S+ 0 0 68 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.877 113.5 48.6 -77.1 -37.3 -28.0 -12.2 -28.7 25 26 A L H <>S+ 0 0 0 -4,-2.8 5,-2.0 -5,-0.2 4,-0.2 0.875 111.2 51.1 -67.2 -39.7 -28.5 -10.9 -25.1 26 27 A G H ><5S+ 0 0 2 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.914 106.2 54.3 -59.4 -45.6 -32.3 -11.8 -25.3 27 28 A Y H 3<5S+ 0 0 167 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.7 55.6 -61.9 -28.9 -31.5 -15.3 -26.4 28 29 A A T 3<5S- 0 0 17 -4,-1.0 -25,-2.4 -3,-0.1 -24,-0.3 0.445 129.1 -92.8 -86.7 -3.6 -29.2 -15.8 -23.4 29 30 A G T < 5S+ 0 0 29 -3,-1.8 -24,-0.7 1,-0.3 2,-0.2 0.351 77.1 136.5 115.2 -5.3 -32.0 -14.8 -21.0 30 31 A A < - 0 0 1 -5,-2.0 2,-0.8 -26,-0.2 26,-0.5 -0.532 58.1-123.4 -75.8 138.7 -31.8 -11.1 -20.4 31 32 A L E -ac 7 56A 7 -25,-2.6 -23,-2.3 -2,-0.2 2,-0.5 -0.749 41.3-153.0 -69.6 108.6 -34.8 -8.8 -20.3 32 33 A V E -ac 8 57A 0 24,-2.1 26,-2.0 -2,-0.8 2,-0.7 -0.798 17.7-153.3-100.4 128.0 -33.6 -6.4 -23.0 33 34 A A E -ac 9 58A 0 -25,-3.1 -23,-2.0 -2,-0.5 2,-0.8 -0.905 18.0-151.4 -91.4 113.8 -34.6 -2.8 -23.3 34 35 A V E -ac 10 59A 0 24,-3.4 26,-2.2 -2,-0.7 2,-0.3 -0.809 15.4-157.4 -91.6 106.8 -34.3 -2.0 -27.0 35 36 A H E + c 0 60A 5 -25,-2.0 -22,-2.4 -2,-0.8 -21,-0.6 -0.626 17.8 165.1 -93.6 146.5 -33.5 1.7 -27.3 36 37 A Y E - c 0 61A 28 24,-2.0 26,-3.0 -2,-0.3 4,-0.1 -0.952 34.0-147.3-148.7 168.8 -34.1 3.9 -30.4 37 38 A A S S- 0 0 33 -2,-0.3 26,-0.2 24,-0.2 -1,-0.1 0.828 92.7 -23.4 -99.3 -62.7 -34.3 7.5 -31.6 38 39 A T S S+ 0 0 121 24,-0.1 2,-1.9 1,-0.1 3,-0.3 0.414 108.3 100.5-132.4 -7.1 -36.9 7.5 -34.3 39 40 A G > + 0 0 11 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.461 38.4 150.7 -82.7 67.4 -36.9 3.9 -35.5 40 41 A A H > S+ 0 0 40 -2,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.885 72.0 45.1 -66.5 -44.8 -40.1 2.9 -33.6 41 42 A D H > S+ 0 0 137 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.884 114.4 50.2 -66.7 -41.6 -41.2 0.2 -36.1 42 43 A A H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.907 109.1 50.6 -63.2 -45.3 -37.7 -1.2 -36.3 43 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.881 108.7 53.0 -59.4 -40.3 -37.3 -1.4 -32.5 44 45 A A H X S+ 0 0 41 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.856 104.7 55.1 -66.2 -36.8 -40.6 -3.2 -32.2 45 46 A E H X S+ 0 0 100 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.900 110.7 45.9 -58.6 -42.2 -39.4 -5.8 -34.8 46 47 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.926 112.9 48.5 -70.2 -45.7 -36.4 -6.5 -32.6 47 48 A A H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 114.2 46.9 -59.2 -43.1 -38.4 -6.7 -29.4 48 49 A E H X S+ 0 0 119 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.905 109.0 55.2 -63.9 -42.7 -40.9 -9.1 -31.1 49 50 A S H X S+ 0 0 24 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.864 108.5 48.5 -61.1 -37.6 -38.0 -11.1 -32.5 50 51 A I H <>S+ 0 0 6 -4,-2.0 5,-2.2 2,-0.2 3,-0.3 0.947 112.6 46.8 -66.0 -49.8 -36.6 -11.6 -28.9 51 52 A E H ><5S+ 0 0 99 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.892 106.3 60.6 -59.4 -42.7 -40.1 -12.6 -27.5 52 53 A K H 3<5S+ 0 0 163 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.881 102.1 51.1 -50.7 -46.4 -40.6 -15.0 -30.4 53 54 A D T 3<5S- 0 0 102 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.178 132.6 -90.9 -81.8 15.7 -37.5 -17.0 -29.5 54 55 A G T < 5S+ 0 0 72 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.523 90.1 114.3 94.5 8.6 -38.8 -17.3 -25.9 55 56 A G < - 0 0 22 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.155 62.0-110.5 -98.0-168.0 -37.2 -14.2 -24.3 56 57 A R E +c 31 0A 124 -26,-0.5 -24,-2.1 -30,-0.2 2,-0.3 -0.993 41.6 149.0-131.4 135.0 -38.4 -10.9 -22.9 57 58 A A E -c 32 0A 4 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.983 17.0-177.8-158.6 159.8 -38.0 -7.4 -24.4 58 59 A F E -c 33 0A 16 -26,-2.0 -24,-3.4 -2,-0.3 2,-0.3 -0.965 27.5-109.2-155.5 166.0 -39.5 -3.9 -24.7 59 60 A T E -c 34 0A 51 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.776 20.0-168.0-105.0 148.0 -38.7 -0.6 -26.5 60 61 A V E -c 35 0A 7 -26,-2.2 -24,-2.0 -2,-0.3 2,-0.4 -0.984 12.6-147.3-134.4 121.1 -37.5 2.7 -25.1 61 62 A K E +c 36 0A 115 -2,-0.4 2,-0.2 -26,-0.2 -24,-0.2 -0.735 30.5 148.7 -88.2 130.0 -37.4 5.9 -27.1 62 63 A A - 0 0 2 -26,-3.0 2,-0.7 -2,-0.4 -24,-0.1 -0.734 35.6-148.7-162.2 117.7 -34.8 8.6 -26.5 63 64 A E - 0 0 70 -2,-0.2 3,-0.4 -26,-0.2 2,-0.2 -0.762 30.8-151.2 -78.0 115.7 -33.1 11.1 -28.8 64 65 A L + 0 0 12 -2,-0.7 55,-0.1 1,-0.2 54,-0.1 -0.596 67.3 45.4 -90.3 154.3 -29.6 11.5 -27.3 65 66 A G S S+ 0 0 26 1,-0.4 -1,-0.2 53,-0.2 54,-0.1 0.500 91.7 93.6 95.8 6.4 -27.4 14.6 -27.5 66 67 A V S > S- 0 0 62 -3,-0.4 3,-1.5 52,-0.1 -1,-0.4 -0.869 90.6 -77.7-123.7 157.5 -30.1 17.1 -26.6 67 68 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.247 115.8 18.4 -60.8 144.8 -30.9 18.4 -23.1 68 69 A G T 3> S+ 0 0 33 3,-0.0 4,-1.8 1,-0.0 5,-0.2 0.552 84.9 129.9 74.7 9.1 -32.9 16.1 -20.8 69 70 A D H <> S+ 0 0 28 -3,-1.5 4,-2.4 1,-0.2 5,-0.1 0.916 71.9 45.1 -59.8 -49.8 -32.0 13.0 -23.0 70 71 A V H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.859 110.3 56.1 -66.0 -38.1 -30.8 10.8 -20.1 71 72 A D H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 110.1 45.0 -57.3 -45.8 -33.8 11.8 -18.0 72 73 A V H X S+ 0 0 75 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.923 113.9 50.0 -65.1 -47.1 -36.1 10.6 -20.8 73 74 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.950 115.2 41.1 -57.6 -54.7 -34.1 7.4 -21.3 74 75 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.754 110.3 58.0 -73.8 -24.0 -34.1 6.4 -17.7 75 76 A E H X S+ 0 0 109 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.951 114.1 39.0 -62.5 -51.2 -37.7 7.4 -17.1 76 77 A G H X S+ 0 0 26 -4,-2.3 4,-2.1 -15,-0.2 -2,-0.2 0.894 119.4 48.3 -64.7 -42.2 -38.8 5.0 -19.8 77 78 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.969 113.3 42.6 -64.7 -57.4 -36.2 2.3 -18.8 78 79 A E H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.890 114.9 51.7 -63.1 -38.7 -36.8 2.2 -15.0 79 80 A R H X S+ 0 0 153 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.937 113.3 44.5 -58.4 -51.1 -40.6 2.4 -15.5 80 81 A G H X S+ 0 0 5 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.872 114.3 48.4 -61.7 -42.9 -40.5 -0.6 -17.9 81 82 A L H X>S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 6,-0.6 0.876 112.5 48.7 -65.5 -39.6 -38.1 -2.7 -15.8 82 83 A K H X5S+ 0 0 134 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.909 109.5 51.9 -68.0 -42.0 -40.2 -2.1 -12.6 83 84 A E H <5S+ 0 0 145 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 119.9 36.1 -60.9 -32.1 -43.4 -3.1 -14.4 84 85 A R H <5S+ 0 0 81 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.797 135.3 15.4 -95.5 -31.7 -41.8 -6.3 -15.6 85 86 A T H <5S- 0 0 60 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.556 94.5-115.4-120.7 -18.4 -39.5 -7.4 -12.7 86 87 A G S < - 0 0 35 -2,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.214 45.7-130.5 -53.3 139.0 -12.6 16.5 -45.4 105 106 A P G > S+ 0 0 54 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.811 104.7 66.1 -67.6 -27.3 -11.4 17.9 -42.0 106 107 A E G 3 S+ 0 0 165 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.668 101.8 51.9 -61.2 -16.5 -11.2 21.5 -43.5 107 108 A E G < S+ 0 0 148 -3,-1.3 2,-0.3 2,-0.1 -1,-0.2 0.515 75.8 120.2-105.9 -6.7 -15.0 21.3 -43.8 108 109 A V < - 0 0 44 -3,-1.0 -5,-0.0 -4,-0.3 -4,-0.0 -0.438 49.6-154.3 -60.6 120.3 -15.9 20.3 -40.2 109 110 A T > - 0 0 56 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.552 27.1-112.0 -88.3 161.2 -18.2 23.0 -38.7 110 111 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.841 118.9 55.4 -60.5 -32.4 -18.4 23.5 -34.9 111 112 A E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.843 105.8 50.4 -69.9 -35.4 -22.0 22.2 -35.0 112 113 A M H > S+ 0 0 76 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.891 111.3 49.5 -66.0 -40.9 -20.9 19.0 -36.6 113 114 A F H X S+ 0 0 65 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.902 110.7 49.0 -62.9 -45.8 -18.3 18.6 -33.9 114 115 A D H X S+ 0 0 99 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.914 112.0 49.4 -60.8 -45.8 -20.9 19.2 -31.1 115 116 A R H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.941 112.3 47.3 -58.1 -51.6 -23.3 16.7 -32.7 116 117 A M H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.940 118.5 40.5 -55.4 -52.2 -20.5 14.1 -33.0 117 118 A M H X>S+ 0 0 46 -4,-2.6 5,-2.1 1,-0.2 4,-2.0 0.896 112.2 56.5 -65.8 -42.3 -19.3 14.6 -29.4 118 119 A A H <>S+ 0 0 18 -4,-3.3 5,-1.9 -5,-0.2 -53,-0.2 0.905 117.7 31.7 -56.4 -46.3 -22.8 15.0 -27.9 119 120 A V H <5S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 125.6 39.6 -82.4 -41.9 -24.0 11.6 -29.2 120 121 A N H <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.734 132.5 8.1 -87.6 -22.2 -20.8 9.5 -29.1 121 122 A A T X5S+ 0 0 11 -4,-2.0 4,-1.6 -5,-0.3 -3,-0.2 0.732 123.7 48.2-124.6 -48.3 -19.1 10.6 -25.8 122 123 A K H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.879 110.6 50.4 -55.9 -35.6 -22.6 7.6 -23.0 125 126 A F H X S+ 0 0 73 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.937 113.7 42.6 -65.7 -49.1 -20.9 9.3 -20.0 126 127 A F H X S+ 0 0 78 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.817 113.0 54.7 -69.6 -27.3 -24.2 10.6 -18.5 127 128 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.924 110.1 45.6 -67.7 -46.1 -25.8 7.2 -19.3 128 129 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.929 112.2 53.2 -56.8 -47.6 -23.1 5.4 -17.3 129 130 A Q H < S+ 0 0 102 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.900 112.7 42.1 -58.3 -46.7 -23.5 8.1 -14.5 130 131 A R H >< S+ 0 0 79 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.841 109.3 59.5 -68.0 -35.1 -27.2 7.5 -14.1 131 132 A A H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-1.1 0.801 90.0 72.6 -65.8 -29.0 -26.8 3.7 -14.4 132 133 A L T 3< S+ 0 0 27 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.814 91.6 56.4 -55.2 -32.6 -24.6 3.7 -11.3 133 134 A S T <4 S+ 0 0 93 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.749 118.6 30.9 -74.7 -20.6 -27.6 4.4 -9.1 134 135 A V T <4 S+ 0 0 14 -3,-1.2 -44,-2.2 -4,-0.4 -2,-0.2 0.390 92.3 106.2-115.8 1.9 -29.5 1.3 -10.3 135 136 A M < - 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